Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02920"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"Zn(Ii)-(20-Oxo-Protoporphyrin Ix)"
|
| drugbank:description |
"
experimental
This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.
Metallotetrapyrroles
Organic Compounds
Heterocyclic Compounds
Tetrapyrroles and Derivatives
Metallotetrapyrroles
Substituted Pyrroles
Dicarboxylic Acids and Derivatives
Polyols
Metalloheterocyclic Compounds
Enolates
Polyamines
Carboxylic Acids
substituted pyrrole
dicarboxylic acid derivative
pyrrole
polyol
carboxylic acid derivative
polyamine
enolate
carboxylic acid
organonitrogen compound
IUPAC Name
10,14-bis(2-carboxyethyl)-4,19-diethenyl-7-hydroxy-5,9,15,20-tetramethyl-2,22,23,25-tetraaza-1-zincaoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1-bis(ylium)-2,23-diuide
ChemAxon
Traditional IUPAC Name
10,14-bis(2-carboxyethyl)-4,19-diethenyl-7-hydroxy-5,9,15,20-tetramethyl-2,22,23,25-tetraaza-1-zincaoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1-bis(ylium)-2,23-diuide
ChemAxon
Molecular Weight
642.051
ChemAxon
Monoisotopic Weight
640.166416732
ChemAxon
SMILES
CC1=C(C=C)C2=CC3=[N-]4C(=CC5=C(CCC(O)=O)C(C)=C6N5[Zn++]44N2C1=CC1=[N-]4C(C(C)=C1C=C)=C6O)C(CCC(O)=O)=C3C
ChemAxon
Molecular Formula
C34H32N4O5Zn
ChemAxon
InChI
InChI=1S/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2/b24-14-,25-13-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;
ChemAxon
InChIKey
InChIKey=GKGQUBKNYNPVCL-GYHFSKQYSA-L
ChemAxon
Polar Surface Area (PSA)
109.02
ChemAxon
Refractivity
178.08
ChemAxon
Polarizability
70.41
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
0
ChemAxon
H Bond Donor Count
0
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
8
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Substance
46507398
PDB
ZEM
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object